Individual and in class feedback will be given on the progress in modelling

Module aims

To introduce students to the techniques of molecular modelling applied to both small molecules and proteins and the use of a range of databases in these studies.

To examine simple quantum mechanical calculations.

To gain practical experience in homology modelling of proteins.

To introduce the concepts behind chemoinformatics.

To describe the representation of structural and chemical data.

To introduce the use of 2-dimensional reduction, for specifying chemical structures.

To study the use of databases to store and retrieve structural and chemical data.

Learning outcomes

Attributes Developed

1

Be familiar with the wide range of modelling techniques as a precursor to applying these to the Industrial Research Year and beyond

K

2

Have an in-depth appreciation of how to carry out practical projects requiring teamwork and initiative to use the most advanced methods to store and retrieve 3-dimensional data in a database and to display it in a variety of ways.

CPT

3

Critically understand the science behind how to reduce a 3-dimensional structure to a 2-D format.

KC

4

Have an in-depth understanding of how to carry out QSAR analysis on pharmaceutical compounds.

KPT

Attributes Developed

C - Cognitive/analytical

K - Subject knowledge

T - Transferable skills

P - Professional/Practical skills

Overall student workload

Independent Study Hours: 117

Methods of Teaching / Learning

The learning and teaching strategy is designed to:

Give the student both practical and theoretical knowledge of modern molecular modelling

The learning and teaching methods include:

A hands on workshop approach will be taken to the computational modelling in the computing laboratory (33 hours).

Indicated Lecture Hours (which may also include seminars, tutorials, workshops and other contact time) are approximate and may include in-class tests where one or more of these are an assessment on the module. In-class tests are scheduled/organised separately to taught content and will be published on to student personal timetables, where they apply to taken modules, as soon as they are finalised by central administration. This will usually be after the initial publication of the teaching timetable for the relevant semester.

Please note that the information detailed within this record is accurate at the time of publishing and may be subject to change. This record contains information for the most up to date version of the programme / module for the 2018/9 academic year.